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BDBM50054046 (E)-6-(4-Hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid::CHEMBL131696

SMILES: C\C(CCC(O)=O)=C/Cc1cc(C)c2COC(=O)c2c1O

InChI Key: InChIKey=AXPFPYZPCCJJLA-YCRREMRBSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054046   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50054046
PNG
((E)-6-(4-Hydroxy-7-methyl-3-oxo-1,3-dihydro-isoben...)
Show SMILES C\C(CCC(O)=O)=C/Cc1cc(C)c2COC(=O)c2c1O
Show InChI InChI=1S/C16H18O5/c1-9(4-6-13(17)18)3-5-11-7-10(2)12-8-21-16(20)14(12)15(11)19/h3,7,19H,4-6,8H2,1-2H3,(H,17,18)/b9-3+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.96E+3n/an/an/an/a8.0n/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair